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23,345 molecules found

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• nfdi4chem-mol4458 (Unknown Molecule) Molecule

  InChIKey	UXWRDWRPWLLRBK-JWEKRMLRSA-N
  Molecular Formula	C56H62N10O8

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4463 (Unknown Molecule) Molecule

  InChIKey	FCRXEDDTFRNVBW-UHFFFAOYSA-N
  Molecular Formula	C62H44N4O2

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 1H--1H correlation spectroscopy (1H-1H COSY)
  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • mass spectrometry (MS)
  • Fourier transform infrared spectroscopy (FTIR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
  • ultraviolet-visible spectrophotometry (UV-VIS)

• nfdi4chem-mol4466 (Unknown Molecule) Molecule

  InChIKey	JBSNCIVXJFJUSU-ISLYRVAYSA-N
  Molecular Formula	C15H17ClN2O2S2

  

  
  

  Related Dataset(s)

  • ultraviolet-visible spectrophotometry (UV-VIS)
  • electron ionisation mass spectrometry (EI-MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)
  • Raman spectroscopy (Raman spectrometry)
  • thin-layer chromatography (TLC)

• nfdi4chem-mol4467(Unknown Molecule) Molecule

  InChIKey	CIEYTVIYYGTCCI-UHFFFAOYSA-N
  Molecular Formula	C15H14O3

  

  
  

  Related Dataset(s)

  • Lapachol; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
  • Lapachol; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
  • Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
  • Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
  • Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
  • Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
  • Lapachol; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
  • Lapachol; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
  • Lapachol; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
  • Lapachol; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV

• nfdi4chem-mol4475 (Unknown Molecule) Molecule

  InChIKey	QWZVUKSWHOPBIP-GHVJWSGMSA-N
  Molecular Formula	C20H20N4

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4482 (Unknown Molecule) Molecule

  InChIKey	ITWUUQFTKOWATK-GHVJWSGMSA-N
  Molecular Formula	C20H13IN2O4

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol4484 (Unknown Molecule) Molecule

  InChIKey	RFHSRTPLKAZEEX-QZQOTICOSA-N
  Molecular Formula	C19H18N2O3S2

  

  
  

  Related Dataset(s)

  • thin-layer chromatography (TLC)
  • Raman spectroscopy (Raman spectrometry)
  • electron ionisation mass spectrometry (EI-MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • ultraviolet-visible spectrophotometry (UV-VIS)

• nfdi4chem-mol4492 (Unknown Molecule) Molecule

  InChIKey	IDMXNLFAMNRZKC-CCEZHUSRSA-N
  Molecular Formula	C13H21N3O

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol4493 (Unknown Molecule) Molecule

  InChIKey	TUCAXGNMUKBIKE-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 13a_JCAMP[13a_HEE300.jdx]

• nfdi4chem-mol4520 (Unknown Molecule) Molecule

  InChIKey	DMWWPJHXPBTAAZ-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 24d[24d-C.jdx]
  • 24d[24d-H.jdx]

• nfdi4chem-mol4531 (Unknown Molecule) Molecule

  InChIKey	FPUPSGZDLXQFJX-LKHNKGCCSA-N
  Molecular Formula	C82H50Fe2N8O

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)

• nfdi4chem-mol4534 (Unknown Molecule) Molecule

  InChIKey	HUEZGJSQUAALDK-CYYJNZCTSA-N
  Molecular Formula	C18H22F7N3O2

  

  
  

  Related Dataset(s)

  • thin-layer chromatography (TLC)
  • electron ionisation mass spectrometry (EI-MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol45379(Unknown Molecule) Molecule

  InChIKey	RKUNBYITZUJHSG-FXUDXRNXSA-N
  Molecular Formula	C17H23NO3

  

  
  

  Related Dataset(s)

  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Hyoscyamine; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+

• nfdi4chem-mol4547 (Unknown Molecule) Molecule

  InChIKey	IHJUAYDXSMNMJM-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 28d[28d-F.jdx]
  • 28d[28d-C.jdx]
  • 28d[28d-H1.jdx]
  • 28d[28d-H.jdx]

• nfdi4chem-mol4548 (Unknown Molecule) Molecule

  InChIKey	YYPCILVTAFMJJX-QURGRASLSA-N
  Molecular Formula	C20H13N3O6

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • elemental analysis (EA)

• nfdi4chem-mol45565(Unknown Molecule) Molecule

  InChIKey	WXZOCNMWVLUOMZ-UHFFFAOYSA-N
  Molecular Formula	C17H14N4O2

  

  
  

  Related Dataset(s)

  • 4-PHENYL-2-(N'-PHENYLUREIDO)PYRIMIDINE-1-OXIDE; EI-B; MS

• nfdi4chem-mol4559 (Unknown Molecule) Molecule

  InChIKey	VENAIISKDMHCNF-TXTNVABFSA-N
  Molecular Formula	C47H36BrCuN2OP2

  

  
  

  Related Dataset(s)

  • 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • fast-atom bombardment mass spectrometry (FABMS)
  • single crystal X-ray diffraction (single-crystal X-ray diffraction)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • Fourier transform infrared spectroscopy (FTIR)
  • elemental analysis (EA)
  • proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)

• nfdi4chem-mol4565 (Unknown Molecule) Molecule

  InChIKey	YVRSXHUGFUBZRE-UHFFFAOYSA-N
  Molecular Formula	C12H24N2O4S

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • high-resolution mass spectrometry (HRMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol45658(Unknown Molecule) Molecule

  InChIKey	HEBKCHPVOIAQTA-ZXFHETKHSA-N
  Molecular Formula	C5H12O5

  

  
  

  Related Dataset(s)

  • Ribitol; LC-ESI-ITFT; MS2; m/z:175.06; POS
  • Ribitol; LC-ESI-ITFT; MS2; m/z:135.07; POS
  • Ribitol; LC-ESI-ITFT; MS2; m/z:135.07; POS
  • Ribitol; LC-ESI-ITFT; MS2; m/z:153.08; POS
  • Ribitol; LC-ESI-ITFT; MS2; m/z:153.08; POS
  • Ribitol; LC-ESI-ITFT; MS; POS
  • Ribitol; GC-EI-TOF; MS; 5 TMS; BP:147
  • Ribitol; LC-ESI-ITFT; MS; POS
  • Ribitol; GC-EI-TOF; MS; n TMS; RT:649.743 sec
  • Ribitol; GC-EI-TOF; MS; 5 TMS; BP:73
  • Ribitol; LC-ESI-ITFT; MS2; m/z:176.10; POS
  • Ribitol; GC-EI-TOF; MS; 5 TMS; BP:73

• nfdi4chem-mol45664(Unknown Molecule) Molecule

  InChIKey	UISPGBUXWMMCCP-HLWKUWEHSA-N
  Molecular Formula	C20H32O

  

  
  

  Related Dataset(s)

  • (1S,2E,4E,7E,10R,11E)-10HYDROXYCEMBRA-2,4,7,11-TETRAENE; EI-B; MS

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